CNRS, LPICM, Ecole Polytechnique, University Paris-Saclay, 91128 Palaiseau, France.
Phys Chem Chem Phys. 2018 Jun 13;20(23):15626-15634. doi: 10.1039/c8cp00764k.
Epitaxial silicon thin films grown from the deposition of plasma-born hydrogenated silicon nanoparticles using plasma-enhanced chemical vapor deposition have widely been investigated due to their potential applications in photovoltaic and nanoelectronic device technologies. However, the optimal experimental conditions and the underlying growth mechanisms leading to the high-speed epitaxial growth of thin silicon films from hydrogenated silicon nanoparticles remain far from being understood. In the present work, extensive molecular dynamics simulations were performed to study the epitaxial growth of silicon thin films resulting from the deposition of plasma-born hydrogenated silicon clusters at low substrate temperatures under realistic reactor conditions. There is strong evidence that a temporary phase transition of the substrate area around the cluster impact site to the liquid state is necessary for the epitaxial growth to take place. We predict further that a non-normal incidence angle for the cluster impact significantly facilitates the epitaxial growth of thin crystalline silicon films.
使用等离子体增强化学气相沉积(PECVD)从等离子体生成的氢化硅纳米颗粒沉积中生长的外延硅薄膜由于其在光伏和纳米电子器件技术中的潜在应用而得到了广泛的研究。然而,导致氢化硅纳米颗粒高速外延生长硅薄膜的最佳实验条件和基础生长机制仍远未被理解。在本工作中,进行了广泛的分子动力学模拟,以研究在实际反应条件下,低温下沉积等离子体生成的氢化硅团簇时,硅薄膜的外延生长。有强有力的证据表明,在团簇撞击点周围的衬底区域发生临时的相转变到液态对于外延生长的发生是必要的。我们进一步预测,团簇撞击的非法向入射角度显著促进了薄的结晶硅薄膜的外延生长。